(3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-4-ylmethanone

C15H13N3O — CID 3078469

IUPAC(3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1N=CCC1c1ccccc1
InChIInChI=1S/C15H13N3O/c19-15(13-6-9-16-10-7-13)18-14(8-11-17-18)12-4-2-1-3-5-12/h1-7,9-11,14H,8H2
InChIKeyNCNSWABPPPVHPQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.65
Rot. Bonds2

About (3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-4-ylmethanone

(3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-4-ylmethanone (PubChem CID 3078469) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-4-ylmethanone
PubChem CID3078469
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1N=CCC1c1ccccc1
InChIInChI=1S/C15H13N3O/c19-15(13-6-9-16-10-7-13)18-14(8-11-17-18)12-4-2-1-3-5-12/h1-7,9-11,14H,8H2
InChIKeyNCNSWABPPPVHPQ-UHFFFAOYSA-N
XLogP2.65
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4472
Iproniazid
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4-Benzoylpyridine
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Enisamium Iodide
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N'-Cyclohexylideneisonicotinohydrazide
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4-Pyridinecarboxylic acid, 2-(4-methylcyclohexylidene)hydrazide
CID 203870
Crotoniazide
CID 5369886
N'-(4-fluorobenzylidene)isonicotinohydrazide
CID 6861407
4-Methylbenzaldehyde isonicotinoyl hydrazone
CID 9554862
N'-[(1E)-pyridin-2-ylmethylene]isonicotinohydrazide
CID 5469565
4-Pyridinecarboxylic acid, 2-cyclopentylidenehydrazide
CID 199574
N'-(4-bromobenzylidene)isonicotinohydrazide
CID 5332577

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-4-ylmethanone?
The IUPAC name of (3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-4-ylmethanone (CID 3078469) is (3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-4-ylmethanone is O=C(c1ccncc1)N1N=CCC1c1ccccc1.
What is the InChIKey of (3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-4-ylmethanone?
The InChIKey is NCNSWABPPPVHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-15(13-6-9-16-10-7-13)18-14(8-11-17-18)12-4-2-1-3-5-12/h1-7,9-11,14H,8H2.
What are the key properties of (3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-4-ylmethanone?
(3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-4-ylmethanone has a molecular weight of 251.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 3078469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).